SCHEMBL7858638

SCHEMBL7858638

Clc1cccc(B2OB(c3cccc(Cl)c3)OB(c3cccc(Cl)c3)O2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
PNMT P11086 1/20 0.37
CHRM5 P08912 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
PARP1 P09874 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NOTUM Q6P988 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX5 P09917 1/20 0.33
MGLL Q99685 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL500331 0.80 ALDH1A1 (0.37) ALDH1A1TSHRPNMTCHRM5TAAR1
SCHEMBL797870 0.77 LIPG (0.51)
SCHEMBL7860889 0.73 ALDH1A1 (0.42) ALDH1A1TSHRTAAR1PARP1TDP1
SCHEMBL5892466 0.73 MEN1 (0.38) ALDH1A1TSHRTAAR1MEN1KMT2A
SCHEMBL5892428 0.73 HTR2C (0.41) TP53HTR3EHTR3BHTR3AHTR3D
SCHEMBL3793235 0.71 ACHE (0.50) ALDH1A1TSHRTAAR1PARP1TDP1
SCHEMBL7858647 0.71 CES2 (0.41) CHRM5TAAR1PARP1NOTUMNPC1
SCHEMBL3787345 0.71 CYP3A4 (0.50) ALDH1A1TSHRTDP1MEN1LMNA
SCHEMBL7860024 0.71 TSHR (0.41) TSHR
SCHEMBL14983387 0.70 MAOA (0.43) ALDH1A1TAAR1ALOX5MGLLMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159462-A1 METHOD FOR PRODUCING NITROGEN-CONTAINING HETEROARYLCARBOXAMIDE ACETIC ACID DERIVATIVE KREOS CAPITAL VII (UK) LIMITED (GB) 2023-05-25 US disclosed
US-20230159462-A1 METHOD FOR PRODUCING NITROGEN-CONTAINING HETEROARYLCARBOXAMIDE ACETIC ACID DERIVATIVE KREOS CAPITAL VII (UK) LIMITED (GB) 2023-05-25 US disclosed
EP-0736509-B1 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL CO (JP) 2001-11-14 EP disclosed
US-6025531-A REACTING A PROCHIRAL KETONE WITH A MIXTURE BORON-CONTAINING COMPOUNDS HAVING A BORANE REACTION PRODUCT FROM OPTICALLY ACTIVE BETA-AMINOALCOHOL AND A BORON HYDRIDE OR A METAL BOROHYDRIDE, AND AN OPTICALLY ACTIVE OXAZABOROLIDINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-15 US disclosed
US-5801280-A Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-01 US disclosed
EP-0736509-A2 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-09 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230159462-A1 METHOD FOR PRODUCING NITROGEN-CONTAINING HETEROARYLCARBOXAMIDE ACETIC ACID DERIVATIVE DIMT1, DLAT, COASY ALDH1A1 67/4885TSHR 3544/4885PNMT 676/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.